chempirical

ADX 47273

C20H17F2N3O2CAS 851881-60-2369.37 g/mol

Open in Covalent MOL file
OFNNFNO
AmideAryl halide

Properties

Molecular formula
C20H17F2N3O2
Molar mass
369.37 g/mol
Exact mass
369.1289 Da
logP
4.03Crippen estimate
Polar surface area
59.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
851881-60-2
SMILES
O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1
InChIKey
VXQCCZHCFBHTTD-HNNXBMFYSA-N
InChI
InChI=1S/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18)15-2-1-11-25(12-15)20(26)14-5-9-17(22)10-6-14/h3-10,15H,1-2,11-12H2/t15-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Methanone, (4-fluorophenyl)[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-
  • Piperidine, 1-(4-fluorobenzoyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-, (3S)-
  • (4-Fluorophenyl)[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]methanone
  • (4-Fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

Work with ADX 47273

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-(4-Fluorobenzoyl)piperidine58547-67-447 % similar (1,1-Dioxido-4-thiomorpholinyl)[6-[[3-(4-fluorophenyl)-5-methyl-4-isoxazolyl]methoxy]-3-pyridinyl]methanone1159600-41-533 % similar 4-Fluoro-N-methoxy-N-methylbenzamide116332-54-833 % similar 4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid340736-76-731 % similar Cyclopropyl(4-fluorophenyl)methanone772-31-631 % similar Benzoylpiperidine776-75-031 % similar (4-(Pyrrolidine-1-carbonyl)phenyl)boronic acid389621-81-231 % similar Gedatolisib1197160-78-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook